U-50488

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H26Cl2N2O
Molecular Weight	369.329
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of U-50488

Structure Search

SMILES

CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC=C(Cl)C(Cl)=C3

InChI

InChIKey=VQLPLYSROCPWFF-QZTJIDSGSA-N

InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26Cl2N2O
Molecular Weight	369.329
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Kappa opioid receptor 115 Target ID: CHEMBL3952 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2822490	Agonist 2752		90.3 µM [Kd]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:07:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:07:07 GMT 2025`
Record UNII	39K8JHE8XN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-DICHLORO-N-METHYL-N-(2-(1-PYRROLIDINYL)-CYCLOHEXYL)-BENZENEACETAMIDE, (TRANS)-ISOMER

Preferred Name

English

U-50488

Code

English

BENZENEACETAMIDE, 3,4-DICHLORO-N-METHYL-N-(2-(1-PYRROLIDINYL)CYCLOHEXYL)-, TRANS-

Common Name

English

(±)-TRANS-U 50488

Common Name

English

Code System Code Type Description

FDA UNII

39K8JHE8XN

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

CAS

67198-13-4

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

CHEBI

73358

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

PUBCHEM

3036289

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

WIKIPEDIA

U-50488

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

EPA CompTox

DTXSID50849401

Created by admin on Mon Mar 31 19:07:07 GMT 2025 , Edited by admin on Mon Mar 31 19:07:07 GMT 2025

PRIMARY

Related Record Type Details


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET->LIGAND

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					W8NB6NA55F

U-50488 hydrochloride

SALT/SOLVATE -> PARENT

Amount:


					EV0PWK6TT6

DELTA-TYPE OPIOID RECEPTOR

TARGET->LIGAND

Comments:

WEAK BINDER

Interaction Type:

BINDING

Qualification:

IC50

Amount:


					2BJ58BX78W

KAPPA-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Comments:

Selective for the kappa receptor no mu activity.

Interaction Type:

BINDING

Qualification:

IC50

Amount:

Related Record Type Details


					39K8JHE8XN

U-50488

ACTIVE MOIETY

Amount: